Chemical Properties of L-2,3-Diaminopropionic acid, N-ethoxycarbonyl, (S)-1-phenylethylamide

InChI

InChI=1S/C17H25N3O5/c1-4-24-16(22)18-11-14(20-17(23)25-5-2)15(21)19-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)/t12-,14-/m1/s1

InChI Key

VPHQYHMUSQAPPH-TZMCWYRMSA-N

Formula

C17H25N3O5

SMILES

CCOC(=O)NCC(NC(=O)OCC)C(=O)NC(C)c1ccccc1

Molecular Weight¹

351.40

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8858		Relay (1.0) Calculated Property
ΔfG°	-128.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-904.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.25	kJ/mol	Joback Calculated Property
ΔvapH°	127.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-2.93		Relay (1.0) Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	273.020	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[2539.00; 2539.00]
Inp	2539.00		NIST
Inp	2539.00		NIST
Tboil	619.54	K	Relay (1.0) Calculated Property
Tc	914.47	K	Relay (1.0) Calculated Property
Tfus	374.44	K	Relay (1.0) Calculated Property
Vc	0.962	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[884.92; 932.55]	J/mol×K	[971.12; 1194.06]
Cp,gas	884.92	J/mol×K	971.12	Joback Calculated Property
Cp,gas	896.01	J/mol×K	1008.28	Joback Calculated Property
Cp,gas	905.79	J/mol×K	1045.43	Joback Calculated Property
Cp,gas	914.30	J/mol×K	1082.59	Joback Calculated Property
Cp,gas	921.58	J/mol×K	1119.75	Joback Calculated Property
Cp,gas	927.65	J/mol×K	1156.91	Joback Calculated Property
Cp,gas	932.55	J/mol×K	1194.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-2,3-Diaminopropionic acid, N-ethoxycarbonyl, (S)-1-phenylethylamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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